N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

C18H19ClN2O5S — CID 146256158

IUPACN-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O5S/c1-25-17-6-5-15(27(23,24)21-14-7-8-26-11-14)10-16(17)18(22)20-13-4-2-3-12(19)9-13/h2-6,9-10,14,21H,7-8,11H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyYZVWPAGITVJSEC-AWEZNQCLSA-N
MW410.88 g/mol
LogP2.67
Rot. Bonds6

About N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (PubChem CID 146256158) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
PubChem CID146256158
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC NameN-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O5S/c1-25-17-6-5-15(27(23,24)21-14-7-8-26-11-14)10-16(17)18(22)20-13-4-2-3-12(19)9-13/h2-6,9-10,14,21H,7-8,11H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyYZVWPAGITVJSEC-AWEZNQCLSA-N
XLogP2.67
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559583
N-(2,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237316
N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256157
N-(4-bromophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559539
N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559576
N-(2-fluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256155
N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237242
2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
CID 146559528
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
N-(2,4-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255929
2-methoxy-N-(3-methyl-2-pyridinyl)-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559541

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (CID 146256158) is N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is COc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The InChIKey is YZVWPAGITVJSEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-25-17-6-5-15(27(23,24)21-14-7-8-26-11-14)10-16(17)18(22)20-13-4-2-3-12(19)9-13/h2-6,9-10,14,21H,7-8,11H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide has a molecular weight of 410.88 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 146256158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).